cyclobutyl(methyl)cyanamide

C6H10N2 — CID 54415728

IUPACcyclobutyl(methyl)cyanamide
SMILESCN(C#N)C1CCC1
InChIInChI=1S/C6H10N2/c1-8(5-7)6-3-2-4-6/h6H,2-4H2,1H3
InChIKeyVXGRYAMUISUKNR-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.95
Rot. Bonds1

About cyclobutyl(methyl)cyanamide

cyclobutyl(methyl)cyanamide (PubChem CID 54415728) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is cyclobutyl(methyl)cyanamide.

Molecular Properties

Compound Namecyclobutyl(methyl)cyanamide
PubChem CID54415728
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Namecyclobutyl(methyl)cyanamide
SMILESCN(C#N)C1CCC1
InChIInChI=1S/C6H10N2/c1-8(5-7)6-3-2-4-6/h6H,2-4H2,1H3
InChIKeyVXGRYAMUISUKNR-UHFFFAOYSA-N
XLogP0.95
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl(methyl)cyanamide?
The IUPAC name of cyclobutyl(methyl)cyanamide (CID 54415728) is cyclobutyl(methyl)cyanamide.
What is the SMILES notation for cyclobutyl(methyl)cyanamide?
The canonical SMILES for cyclobutyl(methyl)cyanamide is CN(C#N)C1CCC1.
What is the InChIKey of cyclobutyl(methyl)cyanamide?
The InChIKey is VXGRYAMUISUKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-8(5-7)6-3-2-4-6/h6H,2-4H2,1H3.
What are the key properties of cyclobutyl(methyl)cyanamide?
cyclobutyl(methyl)cyanamide has a molecular weight of 110.16 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(methyl)cyanamide is sourced from PubChem (CID 54415728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).